N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide

C22H29N3O2 — CID 100805564

IUPACN-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(N2[C@H](C)CCC[C@H]2C)c(C)cc1N
InChIInChI=1S/C22H29N3O2/c1-14-12-18(23)19(13-20(14)25-15(2)8-7-9-16(25)3)24-22(26)17-10-5-6-11-21(17)27-4/h5-6,10-13,15-16H,7-9,23H2,1-4H3,(H,24,26)/t15-,16-/m1/s1
InChIKeyKGFFUIZBXVHVQJ-HZPDHXFCSA-N
MW367.49 g/mol
LogP4.61
Rot. Bonds4

About N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide

N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide (PubChem CID 100805564) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide
PubChem CID100805564
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(N2[C@H](C)CCC[C@H]2C)c(C)cc1N
InChIInChI=1S/C22H29N3O2/c1-14-12-18(23)19(13-20(14)25-15(2)8-7-9-16(25)3)24-22(26)17-10-5-6-11-21(17)27-4/h5-6,10-13,15-16H,7-9,23H2,1-4H3,(H,24,26)/t15-,16-/m1/s1
InChIKeyKGFFUIZBXVHVQJ-HZPDHXFCSA-N
XLogP4.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-amino-5-(2,6-dimethylpiperidin-1-yl)-4-methylphenyl]-2-bromobenzamide
CID 91684052
N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-3,4-dimethoxybenzamide
CID 100805539
N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide
CID 91684192
N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide
CID 99968976
N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide
CID 99969020
N-[2-amino-5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide
CID 99969024
N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide
CID 99969022
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91676222
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
CID 100803336
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide
CID 91683959

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide?
The IUPAC name of N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide (CID 100805564) is N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(N2[C@H](C)CCC[C@H]2C)c(C)cc1N.
What is the InChIKey of N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide?
The InChIKey is KGFFUIZBXVHVQJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-14-12-18(23)19(13-20(14)25-15(2)8-7-9-16(25)3)24-22(26)17-10-5-6-11-21(17)27-4/h5-6,10-13,15-16H,7-9,23H2,1-4H3,(H,24,26)/t15-,16-/m1/s1.
What are the key properties of N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide?
N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide has a molecular weight of 367.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide is sourced from PubChem (CID 100805564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).